593
  Mrv0541 02231214482D          

 10 10  0  0  1  0            999 V2000
    4.5544   -0.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023   -0.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2994    0.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697   -0.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348   -0.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <DATABASE_ID>
DB00593

> <DATABASE_NAME>
drugbank

> <SMILES>
CCC1(C)CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)

> <INCHI_KEY>
HAPOVYFOVVWLRS-UHFFFAOYSA-N

> <FORMULA>
C7H11NO2

> <MOLECULAR_WEIGHT>
141.1677

> <EXACT_MASS>
141.078978601

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.00018748012473142496

> <JCHEM_AVERAGE_POLARIZABILITY>
14.44927505065605

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-ethyl-3-methylpyrrolidine-2,5-dione

> <ALOGPS_LOGP>
0.10

> <JCHEM_LOGP>
0.5500976843333328

> <ALOGPS_LOGS>
-0.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.726963337001482

> <JCHEM_PKA_STRONGEST_BASIC>
-6.601388869567973

> <JCHEM_POLAR_SURFACE_AREA>
46.17

> <JCHEM_REFRACTIVITY>
35.9579

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.01e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00593

> <SECONDARY_ACCESSION_NUMBERS>
APRD00318

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Ethosuximide

> <SYNONYMS>
(±)-2-ethyl-2-methylsuccinimide; 2-ethyl-2-methylsuccinimide; 2-methyl-2-ethylsuccinimide; 3-ethyl-3-methyl-2,5-pyrrolidinedione; 3-ethyl-3-methylsuccinimide; 3-methyl-3-ethylpyrrolidine-2,5-dione; 3-methyl-3-ethylsuccinimide; Aethosuximide; Atysmal; Ethosuximid; Ethosuximide; éthosuximide; Ethosuximidum; Etosuximida; Thilopemal; α-ethyl-α-methylsuccinimide; α-methyl-α-ethylsuccinimide; γ-ethyl-γ-methyl-succinimide; γ-methyl-γ-ethyl-succinimide

> <PRODUCTS>
Ethosuximide; Zarontin; Zarontin Syrup

> <INTERNATIONAL_BRANDS>
Emeside; Ethymal; Etoxin; Petimid; Petinimid; Petnidan; Suxilep; Suxinutin; Zarondan

$$$$